An Isolable Radical Anion Featuring a 2-Center-3-Electron π-Bond without a Clearly Defined σ-Bond

Featuring an extra electron in the π* antibonding orbital, species with a 2-center-3-electron (2c3e) π bond without an underlying σ bond are scarcely known. Herein, we report the synthesis, isolation and characterization of a radical anion salt [K(18-C-6)]⁺{[(HCNDipp)₂Si]₂P₂}⋅⁻ (i.e. [K(18-C-6)]⁺ 3 ⋅⁻) (18-C-6=18-crown-6, Dipp=2,6-diisopropylphenyl), in which 3 ⋅⁻ features a perfectly planar Si₂P₂ four-membered ring. This species represents the first example of a Si- and P-containing analog of a bicyclo[1.1.0]butane radical anion. The unusual bonding motif of 3 ⋅⁻ was thoroughly investigated via X-ray diffraction crystallography, electron paramagnetic resonance spectroscopy (EPR), and calculations by density functional theory (DFT), which collectively unveiled the existence of a 2c3e π bond between the bridgehead P atoms and no clearly defined supporting P−P σ bond.     

河南麦区收割对大气颗粒物及其组分特征排放的影响

农业收割期间排放的颗粒物是农忙期影响大气气溶胶组成的主要来源,因此明确农业收割期间排放的大气颗粒物排放特征具有重要意义。本实验立足河南省新乡市集约化农田实验基地,开展冬小麦区农业收割期间的大气颗粒物及其组分排放特征实验。结果表明收割期间的PMcoarse比其它时期高8.20%,农业站点收割时期的PMcoarse比其它时期高了72.22%,明确了其颗粒物污染特征为仅PM₁₀升高,而非PM₁₀和PM_2.5同时升高,同时PM₁₀的升高非PM_2.5升高引起的;含量最高的前5种元素是Al、Ca、Fe、K、Mg;收割期间,Fe的特征比值最高为0.79;Ca₂₊^和K₊^{离子百分含量在}PMcoarse中占比最高;特征值为0.81和0.78。综合水溶性离子和元素结果,Ca₂₊^、K₊^、Fe浓度协同变化可作为小麦收割过程颗粒物对大气污染影响的指纹识别,以区别于其他污染类型;便于大气污染防治行政主管部门有针对性的查污、防污、治污,提高人民群众生活环境的空气质量。     

成人血清元素相关性及比值分析

用ＩＣＰ－ＭＳ法测定了７９例成人血清１４种元素水平,并进行了相关分析。结果提示,多种元素间存在显著正相关;分析了部分元素的比值,为相关研究提供了参考范围,且对元素比值的离散程度进行分析,为多元素关系研究提供了新的线索与依据。     

非负整数格上元素的性质及其在刻画@-Fuzzy关系方程解集中的作用

首先讨论了非负整数格上元素的性质. 从而完全地刻画了非负整数格上@-Fuzzy关系方程(其中@表示inf-α合成)的解集.     

Plate Contact问题的混合有限元逼近

论文考虑了Plate Contact问题的混合有限元逼近,其变分问题为第二类四阶椭圆变分不等问题.首先,根据正则化方法,得到原问题的正则化问题.再根据网格依赖范数技巧,考虑了正则化问题的Ciarlet-Raviart混合有限元逼近,并证明了真解与逼近解之间的误差估计.最后通过数值算例验证了理论分析的结果.     

LOCALLY STABILIZED FINITE ELEMENT METHOD FOR STOKES PROBLEM WITH NONLINEAR SLIP BOUNDARY CONDITIONS

Based on the low-order conforming finite element subspace （Vh, Mh） such as the P1-P0 triangle element or the Q1-P0 quadrilateral element, the locally stabilized finite element method for the Stokes problem with nonlinear slip boundary conditions is investigated in this paper. For this class of nonlinear slip boundary conditions including the subdifferential property, the weak variational formulation associated with the Stokes problem is an variational inequality. Since （Vh, Mh） does not satisfy the discrete inf-sup conditions, a macroelement condition is introduced for constructing the locally stabilized formulation such that the stability of （Vh, Mh） is established. Under these conditions, we obtain the H1 and L2 error estimates for the numerical solutions.     

拟协调元的精度分析

利用双参数有限元的框架，证明利用拟协调元方法构造的非协调三角形板元都具有一个非常特殊的性质。即相容误差比插值误差高一阶。这是常规有限元和一般非协调元所不具备的。     

The effect of angle on the strain of scarf lap joints subjected to tensile loads

In this paper, the mechanical behavior of the scarf lap joints (SLJs) bonded with adhesive (Vinylester Atlac 580) under a tensile load was analyzed. The effects of scarf angle at the interface strain distributions of SLJs were examined. The stress analyses were performed via three dimensional Finite Element Method (3D-FEM). The 3D-FEM code employed was Ansys (12.0). Experimental results were compared with the 3D-FEM results and were found quite reasonable. The results indicated that the maximum values of the normalized ε_x strain values were determined at θ = 60° in all joints.     

Numerical simulation and analysis of generalized difference method on triangular networks for electrical impedance tomography

Electrical impedance tomography is an inverse problem of elliptic differential equations. Numerical methods based on combining generalized difference method and Levenberg–Marquardt iteration on a planar domain are proposed. Positive semi-definiteness and existence of solution of the generalized difference scheme are proved. Element geometry matrix is introduced to shortcut calculation and standardize computer program. A series of numerical experiments verify the reliability of its mathematical model and the feasibility of the algorithm. A class of electrical current patterns is proposed to minimize the number of direct problems to be solved in each iteration. These methods have been applied successfully in practical simulation of electrical impedance tomography.     

Interior numerical approximation of boundary value problems with a distributional data

We study the approximation properties of a harmonic function u ∈ H^1?k(Ω), k > 0, on a relatively compact subset A of Ω, using the generalized finite element method (GFEM). If Ω = ??, for a smooth, bounded domain ??, we obtain that the GFEM‐approximation u_S ∈ S of u satisfies ‖u ? u_S‖ ≤ Ch^γ‖u‖, where h is the typical size of the “elements” defining the GFEM‐space S and γ ≥ 0 is such that the local approximation spaces contain all polynomials of degree k + γ. The main technical ingredient is an extension of the classical super‐approximation results of Nitsche and Schatz (Applicable Analysis 2 (1972), 161–168; Math Comput 28 (1974), 937–958). In addition to the usual “energy” Sobolev spaces H¹(??), we need also the duals of the Sobolev spaces H^m(??), m ∈ ?₊. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2006